7RMI
 
 | | SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-03 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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8HNR
 | | Molecular structure of Kunitz-type trypsin inhibitor from seeds of Albizia procera | | Descriptor: | Kunitz-type trypsin inhibitor | | Authors: | Mehmood, S, Thirup, S.S, Saeed, A, Rafiq, M, Khaliq, B, Akrem, A. | | Deposit date: | 2022-12-08 | | Release date: | 2023-02-01 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystal structure of Kunitz-type trypsin inhibitor: Entomotoxic effect of native and encapsulated protein targeting gut trypsin of Tribolium castaneum Herbst.
Comput Struct Biotechnol J, 23, 2024
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7RMG
 | | Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-03 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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8BV1
 | | Peptide inhibitor P4 in complex with ASF1 histone chaperone | | Descriptor: | GLYCEROL, Histone chaperone ASF1A, P4 peptide inhibitor of histone chaperone ASF1 | | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.834 Å) | | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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5V4K
 | | Crystal structure of NEDD4 LIR-fused human LC3B_2-119 | | Descriptor: | GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B,Microtubule-associated proteins 1A/1B light chain 3B,Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION | | Authors: | Qiu, Y, Zheng, Y, Schulman, B. | | Deposit date: | 2017-03-09 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Insights into links between autophagy and the ubiquitin system from the structure of LC3B bound to the LIR motif from the E3 ligase NEDD4.
Protein Sci., 26, 2017
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7RMH
 | | Substance P bound to active human neurokinin 1 receptor in complex with miniGs399 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-03 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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6BCG
 | | I-LtrI A28G bound to cognate substrate (pre-cleavage complex) | | Descriptor: | CALCIUM ION, DNA (26-MER), Ribosomal protein 3/homing endonuclease-like fusion protein | | Authors: | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | Deposit date: | 2017-10-20 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
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6BD0
 | | I-OnuI K227Y, D236A bound to cognate substrate (pre-cleavage complex) | | Descriptor: | CALCIUM ION, DNA (25-MER), Ribosomal protein 3/homing endonuclease-like protein fusion | | Authors: | Brown, C, Zhang, K, Laforet, M, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | Deposit date: | 2017-10-20 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | I-OnuI K227Y, D236A bound to cognate substrate (pre-cleavage complex)
To Be Published
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4QPZ
 | | Crystal structure of the formolase FLS_v2 in space group P 21 | | Descriptor: | Formolase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | | Authors: | Shen, B.W, Siegel, J.B, Stoddard, B.L, Baker, D. | | Deposit date: | 2014-06-25 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6GOM
 | | KRAS-169 Q61H GPPNHP + PPIN-1 | | Descriptor: | (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ... | | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2018-06-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8DN0
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6EMH
 | | Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ... | | Authors: | Macedo, J.T, Stehle, T, Blaum, B.S. | | Deposit date: | 2017-10-02 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
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6XZ3
 | | Crystal structure of TLNRD1 4-helix bundle | | Descriptor: | 1,2-ETHANEDIOL, Talin rod domain-containing protein 1 | | Authors: | Cowell, A, Singh, A.K, Brown, D.G, Goult, B.T. | | Deposit date: | 2020-02-01 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Talin rod domain-containing protein 1 (TLNRD1) is a novel actin-bundling protein which promotes filopodia formation.
J.Cell Biol., 220, 2021
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6XQE
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with sarecycline, UAA-mRNA, and deacylated P-site tRNA at 3.00A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Batool, Z, Lomakin, I.B, Bunick, C.G, Polikanov, Y.S. | | Deposit date: | 2020-07-09 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Sarecycline interferes with tRNA accommodation and tethers mRNA to the 70S ribosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5UM8
 | | Crystal structure of HIV-1 envelope trimer 16055 NFL TD CC (T569G) in complex with Fabs 35022 and PGT124 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 35022 heavy chain, ... | | Authors: | Garces, F, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2017-01-26 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.935 Å) | | Cite: | Glycine Substitution at Helix-to-Coil Transitions Facilitates the Structural Determination of a Stabilized Subtype C HIV Envelope Glycoprotein.
Immunity, 46, 2017
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6XXV
 | | Crystal Structure of a computationally designed Immunogen S2_1.2 in complex with its elicited antibody C57 | | Descriptor: | Antibody C57, Heavy Chain, Light Chain, ... | | Authors: | Yang, C, Sesterhenn, F, Correia, B.E, Pojer, F. | | Deposit date: | 2020-01-28 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.20116425 Å) | | Cite: | De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
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5V8L
 | | BG505 SOSIP.664 trimer in complex with broadly neutralizing HIV antibodies 3BNC117 and PGT145 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody, ... | | Authors: | Lee, J.H, Ward, A.B. | | Deposit date: | 2017-03-22 | | Release date: | 2017-05-03 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | A Broadly Neutralizing Antibody Targets the Dynamic HIV Envelope Trimer Apex via a Long, Rigidified, and Anionic beta-Hairpin Structure.
Immunity, 46, 2017
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6XVH
 | | carbonic anhydrase with bound arylsulfonamide- boronic acid | | Descriptor: | (4-sulfamoylphenyl)boronic acid, Carbonic anhydrase 2, ZINC ION | | Authors: | Perez, C, Zhang, B. | | Deposit date: | 2020-01-22 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An easy to assemble, fully modulable, selectiv and
colorimetric artificial bio-sensor for fingerprintting
the recognition of neurotransmitters
To Be Published
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7U2L
 | | C5guano-uOR-Gi-scFv16 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Wang, H, Qu, Q, Skiniotis, G, Kobilka, B. | | Deposit date: | 2022-02-24 | | Release date: | 2022-05-04 | | Last modified: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
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5KQH
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5NHM
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6XXG
 | | Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Deinococcus radiodurans | | Descriptor: | 1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Gierse, R.M, Reddem, E, Grooves, M.R. | | Deposit date: | 2020-01-27 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Identification of a 1-deoxy-D-xylulose-5-phosphate synthase (DXS) mutant with improved crystallographic properties.
Biochem.Biophys.Res.Commun., 539, 2021
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8JXK
 | | Crystal Structure of Rv0047c from Mycobacterium tuberculosis | | Descriptor: | Conserved protein | | Authors: | Ansari, M.S, Yadav, V, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | | Deposit date: | 2023-06-30 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal Structure of Rv0047c from Mycobacterium tuberculosis
To Be Published
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8VM1
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7RND
 | | Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO | | Descriptor: | Ac-VDPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | McCue, W, Finzel, B.C. | | Deposit date: | 2021-07-29 | | Release date: | 2022-01-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
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